[Ifeffit] Problem Importing CIF files into Larch

[Matt Newville]

Hi Amol,

Sorry for the delay, I was offline most of last week.   Thanks for posting
these CIF files.
I think these should be usable -- the basic "cif2feffinp()" function works
on these to generate a valid Feff.inp,  but the GUI CIF Browser is
currently expecting additional fields such as publication information.  I
guess those fields should be optional.   I think there is another issue
with using multi-site CIF structures that I want to look into.
So, I hope to get this fixed soon, but I also want to tackle a few other
issues before posting a completely new version.

--Matt


On Tue, Aug 10, 2021 at 4:12 PM <amolagarwal2025 at u.northwestern.edu> wrote:

> Hi,
>
> I hope you are doing well. I am writing regarding some issues that I am
> having with opening my CIF files in Larch. I have used these same CIF files
> in the past in Artemis to run feff calculations. When I open these files in
> the Larch open feff tab, it shows a dialog box saying that there is an
> error opening the CIF file. This is happening with all my CIF files and I
> am not sure why. I am attaching a couple of these CIF files. I would really
> appreciate some help on this.
>
>
>
> Amol Agarwal
>
> PhD Student
>
> Materials Science & Engineering | Northwestern University
>
>
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